5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid

C15H14N2O2 — CID 117213210

IUPAC5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2Cc3ccccc3C2)cn1
InChIInChI=1S/C15H14N2O2/c18-15(19)14-6-5-11(7-16-14)8-17-9-12-3-1-2-4-13(12)10-17/h1-7H,8-10H2,(H,18,19)
InChIKeyCZHSFPFZWJRIBB-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.30
Rot. Bonds3

About 5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid

5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid (PubChem CID 117213210) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid
PubChem CID117213210
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2Cc3ccccc3C2)cn1
InChIInChI=1S/C15H14N2O2/c18-15(19)14-6-5-11(7-16-14)8-17-9-12-3-1-2-4-13(12)10-17/h1-7H,8-10H2,(H,18,19)
InChIKeyCZHSFPFZWJRIBB-UHFFFAOYSA-N
XLogP2.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 170756022
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633
methyl 5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 121249779
5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 81098919
5-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]pyridine-2-carboxylic acid
CID 81091750
5-(1,3-dihydroisoindol-2-ylmethyl)-2-fluorobenzoic acid
CID 107880673
5-[[2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-1-yl]methyl]pyridine-2-carboxylic acid
CID 19699341
5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid
CID 167756105
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 39159965
5-(1,3-dihydroisoindol-2-ylmethyl)-1-methylpyrazole-3-carboxylic acid
CID 117217117
5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 81098760
5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide
CID 68593798

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid (CID 117213210) is 5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(CN2Cc3ccccc3C2)cn1.
What is the InChIKey of 5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid?
The InChIKey is CZHSFPFZWJRIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15(19)14-6-5-11(7-16-14)8-17-9-12-3-1-2-4-13(12)10-17/h1-7H,8-10H2,(H,18,19).
What are the key properties of 5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid?
5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 117213210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).